Butyl 2,4,5-Tribromo-1H-Imidazole-1-Carboxylate

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Properties Simple | Detailed

Formula C8H9Br3N2O2
IUPAC Name butyl 2,4,5-tribromoimidazol-1-ium-5-ylium-1-carboxylate
Molecular Mass 404.881 g·mol−1
Heat of Formation -187.2 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 292.61 Å 3
Surface Area 273.58 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-imidazolecarboxylic acid, 2,4,5-tribromo-, butyl ester
  • 1-n-butylcarboxylate-2,4,5-tribromoimidazole
  • 2,4,5-tribromo-1-imidazolecarboxylic acid butyl ester
  • 2,4,5-tribromoimidazole-1-carboxylic acid butyl ester
  • 2,4,5-tribromoimidazole-1-n-butylcarboxylate
  • butyl 2,4,5-tribromoimidazole-1-carboxylate
CAS Number(s)
  • 15287-51-1
InChIKey UXSDUYGMRLQRMS-UHFFFAOYSA-N
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Elements H C O Br N